USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot -106:sc= 0.0212 USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.479 USER MOD Single : A 21 SER OG : rot 79:sc= 1.12 USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.558 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0839 (180deg=-0.975) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.0432 (180deg=-0.954) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.537 18.752 -9.808 1.00 0.00 N ATOM 2 CA MET A 1 -26.982 17.853 -8.760 1.00 0.00 C ATOM 3 C MET A 1 -25.714 17.185 -9.283 1.00 0.00 C ATOM 4 O MET A 1 -24.632 17.367 -8.726 1.00 0.00 O ATOM 5 CB MET A 1 -28.023 16.787 -8.402 1.00 0.00 C ATOM 6 CG MET A 1 -27.880 16.409 -6.927 1.00 0.00 C ATOM 7 SD MET A 1 -29.053 15.090 -6.527 1.00 0.00 S ATOM 8 CE MET A 1 -30.287 16.125 -5.702 1.00 0.00 C ATOM 0 H1 MET A 1 -28.401 19.208 -9.452 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.835 19.481 -10.048 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.763 18.197 -10.658 1.00 0.00 H new ATOM 0 HA MET A 1 -26.740 18.433 -7.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.027 17.164 -8.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.887 15.906 -9.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.862 16.079 -6.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.066 17.279 -6.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.117 15.504 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.833 16.618 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.655 16.878 -6.399 1.00 0.00 H new ATOM 20 N SER A 2 -25.857 16.414 -10.356 1.00 0.00 N ATOM 21 CA SER A 2 -24.716 15.723 -10.945 1.00 0.00 C ATOM 22 C SER A 2 -23.879 16.685 -11.780 1.00 0.00 C ATOM 23 O SER A 2 -24.283 17.088 -12.871 1.00 0.00 O ATOM 24 CB SER A 2 -25.202 14.570 -11.823 1.00 0.00 C ATOM 25 OG SER A 2 -26.490 14.158 -11.388 1.00 0.00 O ATOM 0 H SER A 2 -26.744 16.253 -10.832 1.00 0.00 H new ATOM 0 HA SER A 2 -24.097 15.329 -10.139 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.241 14.884 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.503 13.736 -11.767 1.00 0.00 H new ATOM 0 HG SER A 2 -26.805 13.420 -11.951 1.00 0.00 H new ATOM 31 N GLU A 3 -22.711 17.051 -11.260 1.00 0.00 N ATOM 32 CA GLU A 3 -21.822 17.963 -11.969 1.00 0.00 C ATOM 33 C GLU A 3 -20.383 17.459 -11.921 1.00 0.00 C ATOM 34 O GLU A 3 -19.481 18.168 -11.477 1.00 0.00 O ATOM 35 CB GLU A 3 -21.899 19.356 -11.342 1.00 0.00 C ATOM 36 CG GLU A 3 -23.200 20.039 -11.768 1.00 0.00 C ATOM 37 CD GLU A 3 -23.456 21.264 -10.897 1.00 0.00 C ATOM 38 OE1 GLU A 3 -23.063 21.237 -9.742 1.00 0.00 O ATOM 39 OE2 GLU A 3 -24.042 22.210 -11.396 1.00 0.00 O ATOM 0 H GLU A 3 -22.361 16.732 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 3 -22.140 18.014 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.855 19.280 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -21.043 19.954 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -23.139 20.334 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -24.032 19.341 -11.681 1.00 0.00 H new ATOM 46 N PRO A 4 -20.163 16.252 -12.367 1.00 0.00 N ATOM 47 CA PRO A 4 -18.809 15.632 -12.381 1.00 0.00 C ATOM 48 C PRO A 4 -17.887 16.281 -13.411 1.00 0.00 C ATOM 49 O PRO A 4 -16.853 15.719 -13.773 1.00 0.00 O ATOM 50 CB PRO A 4 -19.082 14.169 -12.738 1.00 0.00 C ATOM 51 CG PRO A 4 -20.387 14.173 -13.464 1.00 0.00 C ATOM 52 CD PRO A 4 -21.190 15.351 -12.910 1.00 0.00 C ATOM 0 HA PRO A 4 -18.295 15.754 -11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.287 13.762 -13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.133 13.549 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.233 14.280 -14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.919 13.234 -13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.777 15.837 -13.690 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -21.889 15.030 -12.138 1.00 0.00 H new ATOM 60 N VAL A 5 -18.272 17.463 -13.879 1.00 0.00 N ATOM 61 CA VAL A 5 -17.474 18.179 -14.867 1.00 0.00 C ATOM 62 C VAL A 5 -16.961 19.495 -14.292 1.00 0.00 C ATOM 63 O VAL A 5 -16.066 20.123 -14.857 1.00 0.00 O ATOM 64 CB VAL A 5 -18.315 18.458 -16.114 1.00 0.00 C ATOM 65 CG1 VAL A 5 -17.392 18.781 -17.292 1.00 0.00 C ATOM 66 CG2 VAL A 5 -19.153 17.223 -16.449 1.00 0.00 C ATOM 0 H VAL A 5 -19.125 17.943 -13.593 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.620 17.557 -15.136 1.00 0.00 H new ATOM 0 HB VAL A 5 -18.973 19.306 -15.925 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -17.992 18.980 -18.180 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -16.793 19.660 -17.054 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -16.733 17.933 -17.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -19.753 17.420 -17.337 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -18.493 16.376 -16.637 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -19.811 16.991 -15.611 1.00 0.00 H new ATOM 76 N SER A 6 -17.535 19.906 -13.167 1.00 0.00 N ATOM 77 CA SER A 6 -17.127 21.150 -12.523 1.00 0.00 C ATOM 78 C SER A 6 -16.137 20.871 -11.397 1.00 0.00 C ATOM 79 O SER A 6 -16.441 21.079 -10.223 1.00 0.00 O ATOM 80 CB SER A 6 -18.351 21.872 -11.960 1.00 0.00 C ATOM 81 OG SER A 6 -19.294 22.079 -13.002 1.00 0.00 O ATOM 0 H SER A 6 -18.278 19.401 -12.685 1.00 0.00 H new ATOM 0 HA SER A 6 -16.644 21.781 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.799 21.283 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.056 22.827 -11.526 1.00 0.00 H new ATOM 0 HG SER A 6 -20.081 22.540 -12.644 1.00 0.00 H new ATOM 87 N LEU A 7 -14.950 20.397 -11.764 1.00 0.00 N ATOM 88 CA LEU A 7 -13.923 20.090 -10.776 1.00 0.00 C ATOM 89 C LEU A 7 -13.553 21.338 -9.981 1.00 0.00 C ATOM 90 O LEU A 7 -13.820 22.460 -10.411 1.00 0.00 O ATOM 91 CB LEU A 7 -12.676 19.538 -11.473 1.00 0.00 C ATOM 92 CG LEU A 7 -12.337 18.162 -10.899 1.00 0.00 C ATOM 93 CD1 LEU A 7 -13.412 17.157 -11.316 1.00 0.00 C ATOM 94 CD2 LEU A 7 -10.979 17.707 -11.436 1.00 0.00 C ATOM 0 H LEU A 7 -14.678 20.219 -12.731 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.318 19.341 -10.090 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.850 19.463 -12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.837 20.219 -11.333 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.297 18.221 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.171 16.176 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.380 17.481 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.452 17.097 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.736 16.726 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.019 17.647 -12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.212 18.423 -11.140 1.00 0.00 H new ATOM 106 N LEU A 8 -12.935 21.134 -8.823 1.00 0.00 N ATOM 107 CA LEU A 8 -12.528 22.251 -7.979 1.00 0.00 C ATOM 108 C LEU A 8 -11.212 22.845 -8.476 1.00 0.00 C ATOM 109 O LEU A 8 -10.551 22.273 -9.341 1.00 0.00 O ATOM 110 CB LEU A 8 -12.363 21.781 -6.532 1.00 0.00 C ATOM 111 CG LEU A 8 -13.578 22.214 -5.713 1.00 0.00 C ATOM 112 CD1 LEU A 8 -13.611 23.740 -5.608 1.00 0.00 C ATOM 113 CD2 LEU A 8 -14.856 21.722 -6.398 1.00 0.00 C ATOM 0 H LEU A 8 -12.706 20.213 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.302 23.018 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.258 20.697 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.454 22.202 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.511 21.785 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.479 24.046 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.702 24.091 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.676 24.172 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.723 22.030 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.921 22.150 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.835 20.635 -6.470 1.00 0.00 H new ATOM 125 N THR A 9 -10.841 23.994 -7.921 1.00 0.00 N ATOM 126 CA THR A 9 -9.603 24.655 -8.315 1.00 0.00 C ATOM 127 C THR A 9 -8.559 24.542 -7.207 1.00 0.00 C ATOM 128 O THR A 9 -8.882 24.207 -6.067 1.00 0.00 O ATOM 129 CB THR A 9 -9.872 26.131 -8.616 1.00 0.00 C ATOM 130 OG1 THR A 9 -9.067 26.941 -7.768 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.349 26.444 -8.374 1.00 0.00 C ATOM 0 H THR A 9 -11.375 24.483 -7.203 1.00 0.00 H new ATOM 0 HA THR A 9 -9.221 24.165 -9.211 1.00 0.00 H new ATOM 0 HB THR A 9 -9.627 26.339 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.626 27.339 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.538 27.496 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.964 25.824 -9.026 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.599 26.236 -7.334 1.00 0.00 H new ATOM 139 N PRO A 10 -7.325 24.819 -7.525 1.00 0.00 N ATOM 140 CA PRO A 10 -6.204 24.750 -6.544 1.00 0.00 C ATOM 141 C PRO A 10 -6.578 25.373 -5.201 1.00 0.00 C ATOM 142 O PRO A 10 -6.079 24.958 -4.155 1.00 0.00 O ATOM 143 CB PRO A 10 -5.084 25.545 -7.220 1.00 0.00 C ATOM 144 CG PRO A 10 -5.348 25.433 -8.688 1.00 0.00 C ATOM 145 CD PRO A 10 -6.855 25.216 -8.861 1.00 0.00 C ATOM 0 HA PRO A 10 -5.924 23.722 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.092 26.586 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.105 25.139 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.027 26.336 -9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.788 24.603 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.350 26.125 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.062 24.443 -9.601 1.00 0.00 H new ATOM 153 N SER A 11 -7.457 26.368 -5.239 1.00 0.00 N ATOM 154 CA SER A 11 -7.888 27.040 -4.018 1.00 0.00 C ATOM 155 C SER A 11 -8.165 26.024 -2.915 1.00 0.00 C ATOM 156 O SER A 11 -7.862 26.265 -1.747 1.00 0.00 O ATOM 157 CB SER A 11 -9.153 27.857 -4.291 1.00 0.00 C ATOM 158 OG SER A 11 -8.830 28.952 -5.136 1.00 0.00 O ATOM 0 H SER A 11 -7.882 26.725 -6.094 1.00 0.00 H new ATOM 0 HA SER A 11 -7.089 27.705 -3.691 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.910 27.230 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.576 28.218 -3.354 1.00 0.00 H new ATOM 0 HG SER A 11 -9.638 29.477 -5.315 1.00 0.00 H new ATOM 164 N ASP A 12 -8.741 24.888 -3.296 1.00 0.00 N ATOM 165 CA ASP A 12 -9.057 23.842 -2.329 1.00 0.00 C ATOM 166 C ASP A 12 -8.096 22.669 -2.474 1.00 0.00 C ATOM 167 O ASP A 12 -7.594 22.140 -1.482 1.00 0.00 O ATOM 168 CB ASP A 12 -10.494 23.357 -2.538 1.00 0.00 C ATOM 169 CG ASP A 12 -11.471 24.304 -1.848 1.00 0.00 C ATOM 170 OD1 ASP A 12 -11.183 24.714 -0.735 1.00 0.00 O ATOM 171 OD2 ASP A 12 -12.493 24.606 -2.442 1.00 0.00 O ATOM 0 H ASP A 12 -8.997 24.669 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.955 24.257 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.717 23.304 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.608 22.349 -2.138 1.00 0.00 H new ATOM 176 N LEU A 13 -7.843 22.266 -3.715 1.00 0.00 N ATOM 177 CA LEU A 13 -6.938 21.151 -3.977 1.00 0.00 C ATOM 178 C LEU A 13 -5.504 21.537 -3.633 1.00 0.00 C ATOM 179 O LEU A 13 -4.730 21.933 -4.504 1.00 0.00 O ATOM 180 CB LEU A 13 -7.022 20.747 -5.450 1.00 0.00 C ATOM 181 CG LEU A 13 -7.949 19.541 -5.596 1.00 0.00 C ATOM 182 CD1 LEU A 13 -9.341 19.900 -5.074 1.00 0.00 C ATOM 183 CD2 LEU A 13 -8.045 19.150 -7.072 1.00 0.00 C ATOM 0 H LEU A 13 -8.248 22.690 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.235 20.308 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.395 21.580 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.029 20.504 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.550 18.705 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.002 19.039 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.274 20.181 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.740 20.736 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.706 18.290 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.444 19.987 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.054 18.894 -7.446 1.00 0.00 H new ATOM 195 N ASP A 14 -5.154 21.418 -2.355 1.00 0.00 N ATOM 196 CA ASP A 14 -3.810 21.761 -1.908 1.00 0.00 C ATOM 197 C ASP A 14 -2.991 20.503 -1.647 1.00 0.00 C ATOM 198 O ASP A 14 -3.544 19.414 -1.484 1.00 0.00 O ATOM 199 CB ASP A 14 -3.886 22.599 -0.627 1.00 0.00 C ATOM 200 CG ASP A 14 -5.324 22.647 -0.121 1.00 0.00 C ATOM 201 OD1 ASP A 14 -5.762 21.665 0.455 1.00 0.00 O ATOM 202 OD2 ASP A 14 -5.966 23.666 -0.315 1.00 0.00 O ATOM 0 H ASP A 14 -5.777 21.089 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.323 22.338 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.237 22.171 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.526 23.609 -0.821 1.00 0.00 H new ATOM 207 N PRO A 15 -1.694 20.638 -1.596 1.00 0.00 N ATOM 208 CA PRO A 15 -0.775 19.490 -1.358 1.00 0.00 C ATOM 209 C PRO A 15 -1.297 18.555 -0.268 1.00 0.00 C ATOM 210 O PRO A 15 -1.095 17.341 -0.336 1.00 0.00 O ATOM 211 CB PRO A 15 0.524 20.163 -0.908 1.00 0.00 C ATOM 212 CG PRO A 15 0.492 21.543 -1.499 1.00 0.00 C ATOM 213 CD PRO A 15 -0.966 21.894 -1.782 1.00 0.00 C ATOM 0 HA PRO A 15 -0.660 18.865 -2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.587 20.204 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.394 19.607 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.932 22.264 -0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.079 21.580 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.327 22.665 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.091 22.278 -2.794 1.00 0.00 H new ATOM 221 N LEU A 16 -1.971 19.123 0.724 1.00 0.00 N ATOM 222 CA LEU A 16 -2.513 18.329 1.819 1.00 0.00 C ATOM 223 C LEU A 16 -3.392 17.204 1.288 1.00 0.00 C ATOM 224 O LEU A 16 -3.195 16.035 1.622 1.00 0.00 O ATOM 225 CB LEU A 16 -3.330 19.219 2.758 1.00 0.00 C ATOM 226 CG LEU A 16 -2.575 19.406 4.075 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.474 18.064 4.802 1.00 0.00 C ATOM 228 CD2 LEU A 16 -1.169 19.939 3.787 1.00 0.00 C ATOM 0 H LEU A 16 -2.155 20.124 0.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.679 17.891 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.512 20.187 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.304 18.768 2.947 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.111 20.118 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.936 18.198 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.475 17.686 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.939 17.350 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.631 20.072 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.632 19.228 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.241 20.897 3.271 1.00 0.00 H new ATOM 240 N ILE A 17 -4.364 17.565 0.457 1.00 0.00 N ATOM 241 CA ILE A 17 -5.273 16.577 -0.114 1.00 0.00 C ATOM 242 C ILE A 17 -4.544 15.696 -1.122 1.00 0.00 C ATOM 243 O ILE A 17 -4.846 14.510 -1.257 1.00 0.00 O ATOM 244 CB ILE A 17 -6.444 17.282 -0.801 1.00 0.00 C ATOM 245 CG1 ILE A 17 -7.323 17.957 0.253 1.00 0.00 C ATOM 246 CG2 ILE A 17 -7.274 16.256 -1.574 1.00 0.00 C ATOM 247 CD1 ILE A 17 -8.107 19.102 -0.392 1.00 0.00 C ATOM 0 H ILE A 17 -4.542 18.526 0.165 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.650 15.948 0.693 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.061 18.034 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.010 17.231 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.706 18.338 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.109 16.758 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.649 15.774 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.657 15.504 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.733 19.583 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.411 19.832 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.736 18.708 -1.190 1.00 0.00 H new ATOM 259 N LEU A 18 -3.581 16.282 -1.826 1.00 0.00 N ATOM 260 CA LEU A 18 -2.813 15.540 -2.819 1.00 0.00 C ATOM 261 C LEU A 18 -2.130 14.337 -2.174 1.00 0.00 C ATOM 262 O LEU A 18 -2.232 13.215 -2.669 1.00 0.00 O ATOM 263 CB LEU A 18 -1.762 16.450 -3.454 1.00 0.00 C ATOM 264 CG LEU A 18 -1.653 16.141 -4.948 1.00 0.00 C ATOM 265 CD1 LEU A 18 -0.542 16.991 -5.567 1.00 0.00 C ATOM 266 CD2 LEU A 18 -1.324 14.658 -5.138 1.00 0.00 C ATOM 0 H LEU A 18 -3.315 17.262 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.496 15.185 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.034 17.495 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.797 16.301 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.600 16.371 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.465 16.770 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.774 18.047 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.406 16.762 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.246 14.436 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.377 14.430 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.115 14.051 -4.698 1.00 0.00 H new ATOM 278 N THR A 19 -1.427 14.582 -1.074 1.00 0.00 N ATOM 279 CA THR A 19 -0.728 13.511 -0.371 1.00 0.00 C ATOM 280 C THR A 19 -1.724 12.513 0.212 1.00 0.00 C ATOM 281 O THR A 19 -1.556 11.302 0.072 1.00 0.00 O ATOM 282 CB THR A 19 0.128 14.096 0.752 1.00 0.00 C ATOM 283 OG1 THR A 19 0.808 15.249 0.277 1.00 0.00 O ATOM 284 CG2 THR A 19 1.149 13.054 1.215 1.00 0.00 C ATOM 0 H THR A 19 -1.326 15.505 -0.652 1.00 0.00 H new ATOM 0 HA THR A 19 -0.087 12.992 -1.083 1.00 0.00 H new ATOM 0 HB THR A 19 -0.512 14.371 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.180 16.000 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.759 13.473 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.626 12.170 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.790 12.776 0.378 1.00 0.00 H new ATOM 292 N LEU A 20 -2.761 13.031 0.861 1.00 0.00 N ATOM 293 CA LEU A 20 -3.777 12.174 1.461 1.00 0.00 C ATOM 294 C LEU A 20 -4.269 11.141 0.452 1.00 0.00 C ATOM 295 O LEU A 20 -4.411 9.961 0.778 1.00 0.00 O ATOM 296 CB LEU A 20 -4.959 13.023 1.940 1.00 0.00 C ATOM 297 CG LEU A 20 -5.286 12.670 3.391 1.00 0.00 C ATOM 298 CD1 LEU A 20 -6.456 13.529 3.874 1.00 0.00 C ATOM 299 CD2 LEU A 20 -5.671 11.190 3.479 1.00 0.00 C ATOM 0 H LEU A 20 -2.920 14.031 0.985 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.333 11.655 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.716 14.082 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.828 12.845 1.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.414 12.859 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.689 13.277 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.185 14.583 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.329 13.340 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.905 10.936 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.544 11.003 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.839 10.576 3.134 1.00 0.00 H new ATOM 311 N SER A 21 -4.525 11.588 -0.772 1.00 0.00 N ATOM 312 CA SER A 21 -5.001 10.693 -1.820 1.00 0.00 C ATOM 313 C SER A 21 -3.948 9.638 -2.141 1.00 0.00 C ATOM 314 O SER A 21 -4.264 8.458 -2.290 1.00 0.00 O ATOM 315 CB SER A 21 -5.329 11.492 -3.081 1.00 0.00 C ATOM 316 OG SER A 21 -6.160 12.593 -2.736 1.00 0.00 O ATOM 0 H SER A 21 -4.412 12.559 -1.062 1.00 0.00 H new ATOM 0 HA SER A 21 -5.902 10.194 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.411 11.847 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.833 10.855 -3.808 1.00 0.00 H new ATOM 0 HG SER A 21 -5.612 13.309 -2.353 1.00 0.00 H new ATOM 322 N LEU A 22 -2.696 10.071 -2.249 1.00 0.00 N ATOM 323 CA LEU A 22 -1.603 9.154 -2.552 1.00 0.00 C ATOM 324 C LEU A 22 -1.573 8.009 -1.542 1.00 0.00 C ATOM 325 O LEU A 22 -1.524 6.838 -1.918 1.00 0.00 O ATOM 326 CB LEU A 22 -0.271 9.901 -2.519 1.00 0.00 C ATOM 327 CG LEU A 22 0.448 9.720 -3.858 1.00 0.00 C ATOM 328 CD1 LEU A 22 1.744 10.532 -3.856 1.00 0.00 C ATOM 329 CD2 LEU A 22 0.776 8.239 -4.062 1.00 0.00 C ATOM 0 H LEU A 22 -2.414 11.044 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.762 8.742 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.440 10.960 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.350 9.524 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.196 10.066 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.256 10.403 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.512 11.587 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.389 10.186 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.288 8.108 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.420 7.894 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.147 7.659 -4.063 1.00 0.00 H new ATOM 341 N ILE A 23 -1.599 8.357 -0.260 1.00 0.00 N ATOM 342 CA ILE A 23 -1.576 7.350 0.796 1.00 0.00 C ATOM 343 C ILE A 23 -2.767 6.406 0.659 1.00 0.00 C ATOM 344 O ILE A 23 -2.649 5.204 0.900 1.00 0.00 O ATOM 345 CB ILE A 23 -1.616 8.028 2.165 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.421 8.978 2.296 1.00 0.00 C ATOM 347 CG2 ILE A 23 -1.543 6.965 3.263 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.607 9.863 3.531 1.00 0.00 C ATOM 0 H ILE A 23 -1.636 9.321 0.072 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.656 6.774 0.704 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.544 8.591 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.504 8.407 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.334 9.596 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.571 7.448 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.391 6.286 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.615 6.402 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.243 10.539 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.524 10.444 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.673 9.237 4.421 1.00 0.00 H new ATOM 360 N LEU A 24 -3.913 6.958 0.273 1.00 0.00 N ATOM 361 CA LEU A 24 -5.120 6.154 0.108 1.00 0.00 C ATOM 362 C LEU A 24 -4.928 5.121 -0.998 1.00 0.00 C ATOM 363 O LEU A 24 -5.277 3.951 -0.836 1.00 0.00 O ATOM 364 CB LEU A 24 -6.306 7.057 -0.236 1.00 0.00 C ATOM 365 CG LEU A 24 -7.455 6.781 0.736 1.00 0.00 C ATOM 366 CD1 LEU A 24 -8.617 7.728 0.433 1.00 0.00 C ATOM 367 CD2 LEU A 24 -7.923 5.332 0.572 1.00 0.00 C ATOM 0 H LEU A 24 -4.032 7.950 0.070 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.319 5.634 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.009 8.104 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.630 6.875 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.113 6.940 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.436 7.532 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.285 8.760 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.960 7.568 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.742 5.134 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.266 5.174 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.095 4.656 0.786 1.00 0.00 H new ATOM 379 N VAL A 25 -4.368 5.560 -2.120 1.00 0.00 N ATOM 380 CA VAL A 25 -4.133 4.663 -3.247 1.00 0.00 C ATOM 381 C VAL A 25 -3.109 3.595 -2.875 1.00 0.00 C ATOM 382 O VAL A 25 -3.250 2.431 -3.249 1.00 0.00 O ATOM 383 CB VAL A 25 -3.629 5.459 -4.452 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.314 4.501 -5.602 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.708 6.450 -4.895 1.00 0.00 C ATOM 0 H VAL A 25 -4.070 6.523 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.074 4.176 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.726 6.003 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.955 5.069 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.546 3.795 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.216 3.956 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.350 7.018 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.611 5.905 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.933 7.133 -4.076 1.00 0.00 H new ATOM 395 N VAL A 26 -2.080 4.000 -2.138 1.00 0.00 N ATOM 396 CA VAL A 26 -1.037 3.068 -1.723 1.00 0.00 C ATOM 397 C VAL A 26 -1.642 1.900 -0.951 1.00 0.00 C ATOM 398 O VAL A 26 -1.347 0.737 -1.233 1.00 0.00 O ATOM 399 CB VAL A 26 -0.015 3.788 -0.843 1.00 0.00 C ATOM 400 CG1 VAL A 26 0.969 2.769 -0.266 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.749 4.812 -1.686 1.00 0.00 C ATOM 0 H VAL A 26 -1.946 4.959 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.542 2.683 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.530 4.297 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.698 3.282 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.426 2.037 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.485 2.260 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.478 5.327 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.265 4.302 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.049 5.538 -2.099 1.00 0.00 H new ATOM 411 N ILE A 27 -2.489 2.215 0.024 1.00 0.00 N ATOM 412 CA ILE A 27 -3.129 1.183 0.829 1.00 0.00 C ATOM 413 C ILE A 27 -3.964 0.257 -0.052 1.00 0.00 C ATOM 414 O ILE A 27 -3.913 -0.965 0.091 1.00 0.00 O ATOM 415 CB ILE A 27 -4.026 1.826 1.888 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.161 2.611 2.876 1.00 0.00 C ATOM 417 CG2 ILE A 27 -4.796 0.737 2.637 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.989 3.737 3.497 1.00 0.00 C ATOM 0 H ILE A 27 -2.746 3.170 0.274 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.351 0.598 1.319 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.733 2.501 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.788 1.947 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.291 3.024 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.435 1.196 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.411 0.177 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.091 0.061 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.373 4.296 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.341 4.406 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.845 3.312 4.022 1.00 0.00 H new ATOM 430 N LEU A 28 -4.731 0.848 -0.961 1.00 0.00 N ATOM 431 CA LEU A 28 -5.574 0.066 -1.862 1.00 0.00 C ATOM 432 C LEU A 28 -4.733 -0.933 -2.648 1.00 0.00 C ATOM 433 O LEU A 28 -5.107 -2.098 -2.789 1.00 0.00 O ATOM 434 CB LEU A 28 -6.307 0.995 -2.828 1.00 0.00 C ATOM 435 CG LEU A 28 -7.762 0.542 -2.968 1.00 0.00 C ATOM 436 CD1 LEU A 28 -8.488 1.453 -3.959 1.00 0.00 C ATOM 437 CD2 LEU A 28 -7.799 -0.899 -3.478 1.00 0.00 C ATOM 0 H LEU A 28 -4.788 1.858 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.303 -0.482 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.268 2.021 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.817 0.985 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.255 0.597 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.524 1.130 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.461 2.480 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.996 1.399 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.835 -1.223 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.306 -0.954 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.282 -1.548 -2.771 1.00 0.00 H new ATOM 449 N VAL A 29 -3.599 -0.469 -3.162 1.00 0.00 N ATOM 450 CA VAL A 29 -2.713 -1.333 -3.934 1.00 0.00 C ATOM 451 C VAL A 29 -2.308 -2.553 -3.112 1.00 0.00 C ATOM 452 O VAL A 29 -2.357 -3.683 -3.598 1.00 0.00 O ATOM 453 CB VAL A 29 -1.460 -0.558 -4.348 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.554 -1.462 -5.186 1.00 0.00 C ATOM 455 CG2 VAL A 29 -1.870 0.661 -5.179 1.00 0.00 C ATOM 0 H VAL A 29 -3.273 0.492 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.245 -1.667 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.923 -0.231 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.338 -0.910 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.264 -2.333 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.090 -1.788 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.980 1.215 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.405 0.331 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.517 1.306 -4.584 1.00 0.00 H new ATOM 465 N LEU A 30 -1.905 -2.318 -1.868 1.00 0.00 N ATOM 466 CA LEU A 30 -1.493 -3.406 -0.988 1.00 0.00 C ATOM 467 C LEU A 30 -2.667 -4.333 -0.696 1.00 0.00 C ATOM 468 O LEU A 30 -2.494 -5.545 -0.556 1.00 0.00 O ATOM 469 CB LEU A 30 -0.947 -2.839 0.323 1.00 0.00 C ATOM 470 CG LEU A 30 0.551 -3.127 0.420 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.281 -2.421 -0.724 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.083 -2.608 1.759 1.00 0.00 C ATOM 0 H LEU A 30 -1.855 -1.390 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.711 -3.977 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.125 -1.765 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.469 -3.285 1.170 1.00 0.00 H new ATOM 0 HG LEU A 30 0.720 -4.202 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.349 -2.626 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.902 -2.787 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.113 -1.346 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.151 -2.813 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.914 -1.533 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.563 -3.108 2.576 1.00 0.00 H new ATOM 484 N LEU A 31 -3.862 -3.758 -0.607 1.00 0.00 N ATOM 485 CA LEU A 31 -5.060 -4.545 -0.333 1.00 0.00 C ATOM 486 C LEU A 31 -5.271 -5.591 -1.423 1.00 0.00 C ATOM 487 O LEU A 31 -5.416 -6.779 -1.135 1.00 0.00 O ATOM 488 CB LEU A 31 -6.281 -3.626 -0.260 1.00 0.00 C ATOM 489 CG LEU A 31 -7.002 -3.844 1.072 1.00 0.00 C ATOM 490 CD1 LEU A 31 -6.153 -3.273 2.211 1.00 0.00 C ATOM 491 CD2 LEU A 31 -8.355 -3.128 1.039 1.00 0.00 C ATOM 0 H LEU A 31 -4.027 -2.758 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.931 -5.053 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.972 -2.585 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.956 -3.834 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.156 -4.911 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.666 -3.428 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.187 -3.778 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.000 -2.206 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.871 -3.282 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.198 -2.061 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.960 -3.531 0.227 1.00 0.00 H new ATOM 503 N THR A 32 -5.289 -5.143 -2.673 1.00 0.00 N ATOM 504 CA THR A 32 -5.481 -6.051 -3.798 1.00 0.00 C ATOM 505 C THR A 32 -4.361 -7.088 -3.845 1.00 0.00 C ATOM 506 O THR A 32 -4.617 -8.284 -3.994 1.00 0.00 O ATOM 507 CB THR A 32 -5.500 -5.262 -5.109 1.00 0.00 C ATOM 508 OG1 THR A 32 -5.083 -3.926 -4.862 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.918 -5.258 -5.682 1.00 0.00 C ATOM 0 H THR A 32 -5.174 -4.163 -2.932 1.00 0.00 H new ATOM 0 HA THR A 32 -6.434 -6.564 -3.668 1.00 0.00 H new ATOM 0 HB THR A 32 -4.822 -5.728 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.157 -3.926 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.931 -4.696 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.237 -6.283 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.598 -4.792 -4.968 1.00 0.00 H new ATOM 517 N VAL A 33 -3.123 -6.624 -3.712 1.00 0.00 N ATOM 518 CA VAL A 33 -1.974 -7.522 -3.741 1.00 0.00 C ATOM 519 C VAL A 33 -2.139 -8.633 -2.708 1.00 0.00 C ATOM 520 O VAL A 33 -1.917 -9.807 -3.007 1.00 0.00 O ATOM 521 CB VAL A 33 -0.694 -6.739 -3.448 1.00 0.00 C ATOM 522 CG1 VAL A 33 0.498 -7.696 -3.432 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.484 -5.682 -4.534 1.00 0.00 C ATOM 0 H VAL A 33 -2.890 -5.639 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.909 -7.968 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.781 -6.252 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.410 -7.137 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.349 -8.450 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.586 -8.184 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.428 -5.123 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.397 -6.170 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.333 -4.999 -4.546 1.00 0.00 H new ATOM 533 N LEU A 34 -2.535 -8.256 -1.498 1.00 0.00 N ATOM 534 CA LEU A 34 -2.731 -9.232 -0.431 1.00 0.00 C ATOM 535 C LEU A 34 -3.891 -10.163 -0.766 1.00 0.00 C ATOM 536 O LEU A 34 -3.831 -11.364 -0.501 1.00 0.00 O ATOM 537 CB LEU A 34 -3.018 -8.511 0.889 1.00 0.00 C ATOM 538 CG LEU A 34 -2.315 -9.244 2.032 1.00 0.00 C ATOM 539 CD1 LEU A 34 -2.621 -8.540 3.355 1.00 0.00 C ATOM 540 CD2 LEU A 34 -2.817 -10.688 2.097 1.00 0.00 C ATOM 0 H LEU A 34 -2.726 -7.290 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.821 -9.824 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.670 -7.479 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.092 -8.476 1.071 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.239 -9.240 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.120 -9.063 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.265 -7.511 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.697 -8.544 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.316 -11.211 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.893 -10.692 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.600 -11.191 1.155 1.00 0.00 H new ATOM 552 N ALA A 35 -4.946 -9.603 -1.349 1.00 0.00 N ATOM 553 CA ALA A 35 -6.115 -10.395 -1.715 1.00 0.00 C ATOM 554 C ALA A 35 -5.732 -11.487 -2.709 1.00 0.00 C ATOM 555 O ALA A 35 -6.148 -12.638 -2.571 1.00 0.00 O ATOM 556 CB ALA A 35 -7.183 -9.492 -2.333 1.00 0.00 C ATOM 0 H ALA A 35 -5.016 -8.611 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.511 -10.863 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.053 -10.090 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.477 -8.730 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.781 -9.011 -3.225 1.00 0.00 H new ATOM 562 N LEU A 36 -4.938 -11.120 -3.709 1.00 0.00 N ATOM 563 CA LEU A 36 -4.505 -12.078 -4.720 1.00 0.00 C ATOM 564 C LEU A 36 -3.651 -13.172 -4.088 1.00 0.00 C ATOM 565 O LEU A 36 -3.803 -14.353 -4.404 1.00 0.00 O ATOM 566 CB LEU A 36 -3.700 -11.362 -5.806 1.00 0.00 C ATOM 567 CG LEU A 36 -4.657 -10.739 -6.824 1.00 0.00 C ATOM 568 CD1 LEU A 36 -4.021 -9.482 -7.420 1.00 0.00 C ATOM 569 CD2 LEU A 36 -4.938 -11.747 -7.941 1.00 0.00 C ATOM 0 H LEU A 36 -4.583 -10.173 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.389 -12.534 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.074 -10.589 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.032 -12.066 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.591 -10.473 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.703 -9.038 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.820 -8.764 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.087 -9.747 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.620 -11.305 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.003 -12.012 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.391 -12.643 -7.517 1.00 0.00 H new ATOM 581 N LEU A 37 -2.753 -12.772 -3.193 1.00 0.00 N ATOM 582 CA LEU A 37 -1.880 -13.729 -2.522 1.00 0.00 C ATOM 583 C LEU A 37 -2.706 -14.766 -1.766 1.00 0.00 C ATOM 584 O LEU A 37 -2.379 -15.954 -1.766 1.00 0.00 O ATOM 585 CB LEU A 37 -0.958 -12.998 -1.545 1.00 0.00 C ATOM 586 CG LEU A 37 0.500 -13.258 -1.928 1.00 0.00 C ATOM 587 CD1 LEU A 37 0.794 -12.620 -3.286 1.00 0.00 C ATOM 588 CD2 LEU A 37 1.421 -12.649 -0.869 1.00 0.00 C ATOM 0 H LEU A 37 -2.611 -11.800 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.279 -14.237 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.165 -11.928 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.144 -13.340 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 37 0.673 -14.333 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.833 -12.806 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.138 -13.053 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.621 -11.545 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.460 -12.834 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.247 -11.575 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.213 -13.104 0.099 1.00 0.00 H new ATOM 600 N SER A 38 -3.775 -14.310 -1.123 1.00 0.00 N ATOM 601 CA SER A 38 -4.640 -15.208 -0.367 1.00 0.00 C ATOM 602 C SER A 38 -5.275 -16.245 -1.289 1.00 0.00 C ATOM 603 O SER A 38 -5.259 -17.441 -0.999 1.00 0.00 O ATOM 604 CB SER A 38 -5.738 -14.408 0.335 1.00 0.00 C ATOM 605 OG SER A 38 -7.000 -14.999 0.057 1.00 0.00 O ATOM 0 H SER A 38 -4.062 -13.331 -1.110 1.00 0.00 H new ATOM 0 HA SER A 38 -4.033 -15.723 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.560 -14.391 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.725 -13.373 -0.007 1.00 0.00 H new ATOM 0 HG SER A 38 -7.706 -14.490 0.507 1.00 0.00 H new ATOM 611 N HIS A 39 -5.831 -15.776 -2.402 1.00 0.00 N ATOM 612 CA HIS A 39 -6.470 -16.672 -3.360 1.00 0.00 C ATOM 613 C HIS A 39 -5.470 -17.699 -3.882 1.00 0.00 C ATOM 614 O HIS A 39 -5.805 -18.868 -4.066 1.00 0.00 O ATOM 615 CB HIS A 39 -7.036 -15.867 -4.530 1.00 0.00 C ATOM 616 CG HIS A 39 -8.168 -16.628 -5.163 1.00 0.00 C ATOM 617 ND1 HIS A 39 -9.492 -16.247 -5.009 1.00 0.00 N ATOM 618 CD2 HIS A 39 -8.191 -17.751 -5.953 1.00 0.00 C ATOM 619 CE1 HIS A 39 -10.249 -17.127 -5.691 1.00 0.00 C ATOM 620 NE2 HIS A 39 -9.505 -18.064 -6.286 1.00 0.00 N ATOM 0 H HIS A 39 -5.852 -14.790 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.281 -17.196 -2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.387 -14.896 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.255 -15.677 -5.266 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.321 -18.307 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.326 -17.081 -5.750 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.830 -18.841 -6.861 1.00 0.00 H new ATOM 628 N ARG A 40 -4.241 -17.253 -4.120 1.00 0.00 N ATOM 629 CA ARG A 40 -3.201 -18.142 -4.622 1.00 0.00 C ATOM 630 C ARG A 40 -2.898 -19.240 -3.609 1.00 0.00 C ATOM 631 O ARG A 40 -2.802 -20.416 -3.963 1.00 0.00 O ATOM 632 CB ARG A 40 -1.926 -17.344 -4.907 1.00 0.00 C ATOM 633 CG ARG A 40 -1.579 -17.453 -6.394 1.00 0.00 C ATOM 634 CD ARG A 40 -1.250 -18.906 -6.738 1.00 0.00 C ATOM 635 NE ARG A 40 -2.196 -19.417 -7.724 1.00 0.00 N ATOM 636 CZ ARG A 40 -1.941 -20.526 -8.410 1.00 0.00 C ATOM 637 NH1 ARG A 40 -0.831 -21.180 -8.204 1.00 0.00 N ATOM 638 NH2 ARG A 40 -2.803 -20.962 -9.288 1.00 0.00 N ATOM 0 H ARG A 40 -3.943 -16.289 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.557 -18.602 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.069 -16.299 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.103 -17.724 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.416 -17.106 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.729 -16.812 -6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.235 -18.974 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.287 -19.518 -5.837 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.068 -18.914 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.159 -20.840 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.635 -22.031 -8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.672 -20.451 -9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.608 -21.813 -9.815 1.00 0.00 H new ATOM 652 N ARG A 41 -2.750 -18.851 -2.347 1.00 0.00 N ATOM 653 CA ARG A 41 -2.456 -19.812 -1.289 1.00 0.00 C ATOM 654 C ARG A 41 -3.583 -20.830 -1.162 1.00 0.00 C ATOM 655 O ARG A 41 -3.338 -22.023 -0.987 1.00 0.00 O ATOM 656 CB ARG A 41 -2.268 -19.083 0.041 1.00 0.00 C ATOM 657 CG ARG A 41 -0.879 -18.443 0.083 1.00 0.00 C ATOM 658 CD ARG A 41 0.106 -19.399 0.757 1.00 0.00 C ATOM 659 NE ARG A 41 -0.066 -19.361 2.205 1.00 0.00 N ATOM 660 CZ ARG A 41 0.626 -20.169 3.000 1.00 0.00 C ATOM 661 NH1 ARG A 41 1.478 -21.015 2.488 1.00 0.00 N ATOM 662 NH2 ARG A 41 0.455 -20.117 4.294 1.00 0.00 N ATOM 0 H ARG A 41 -2.828 -17.884 -2.033 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.536 -20.338 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.036 -18.318 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.383 -19.782 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.543 -18.212 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.918 -17.500 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.052 -20.413 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.128 -19.122 0.497 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.729 -18.703 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.612 -21.055 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.010 -21.636 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.210 -19.456 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.987 -20.738 4.904 1.00 0.00 H new ATOM 676 N ALA A 42 -4.819 -20.350 -1.248 1.00 0.00 N ATOM 677 CA ALA A 42 -5.979 -21.229 -1.141 1.00 0.00 C ATOM 678 C ALA A 42 -6.016 -22.209 -2.309 1.00 0.00 C ATOM 679 O ALA A 42 -6.182 -23.415 -2.114 1.00 0.00 O ATOM 680 CB ALA A 42 -7.263 -20.398 -1.128 1.00 0.00 C ATOM 0 H ALA A 42 -5.043 -19.365 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.902 -21.792 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.125 -21.061 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.248 -19.718 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.333 -19.822 -2.051 1.00 0.00 H new ATOM 686 N LEU A 43 -5.860 -21.686 -3.520 1.00 0.00 N ATOM 687 CA LEU A 43 -5.879 -22.526 -4.712 1.00 0.00 C ATOM 688 C LEU A 43 -4.807 -23.607 -4.623 1.00 0.00 C ATOM 689 O LEU A 43 -4.997 -24.726 -5.099 1.00 0.00 O ATOM 690 CB LEU A 43 -5.641 -21.671 -5.958 1.00 0.00 C ATOM 691 CG LEU A 43 -6.358 -22.299 -7.154 1.00 0.00 C ATOM 692 CD1 LEU A 43 -7.790 -21.767 -7.230 1.00 0.00 C ATOM 693 CD2 LEU A 43 -5.612 -21.939 -8.441 1.00 0.00 C ATOM 0 H LEU A 43 -5.720 -20.692 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.856 -23.004 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.008 -20.658 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.573 -21.594 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.380 -23.382 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.300 -22.215 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.322 -22.022 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.770 -20.684 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.122 -22.386 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.590 -20.856 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.592 -22.319 -8.388 1.00 0.00 H new ATOM 705 N LYS A 44 -3.679 -23.266 -4.009 1.00 0.00 N ATOM 706 CA LYS A 44 -2.581 -24.215 -3.863 1.00 0.00 C ATOM 707 C LYS A 44 -2.954 -25.313 -2.871 1.00 0.00 C ATOM 708 O LYS A 44 -2.787 -26.501 -3.153 1.00 0.00 O ATOM 709 CB LYS A 44 -1.325 -23.490 -3.377 1.00 0.00 C ATOM 710 CG LYS A 44 -0.087 -24.304 -3.759 1.00 0.00 C ATOM 711 CD LYS A 44 1.170 -23.588 -3.258 1.00 0.00 C ATOM 712 CE LYS A 44 2.315 -24.594 -3.131 1.00 0.00 C ATOM 713 NZ LYS A 44 2.231 -25.586 -4.238 1.00 0.00 N ATOM 0 H LYS A 44 -3.501 -22.346 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.384 -24.669 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.271 -22.496 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.365 -23.355 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.147 -25.302 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.040 -24.429 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.447 -22.791 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.974 -23.120 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.273 -24.076 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.261 -25.102 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.164 -26.022 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.539 -26.323 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.931 -25.107 -5.111 1.00 0.00 H new ATOM 727 N GLN A 45 -3.457 -24.909 -1.709 1.00 0.00 N ATOM 728 CA GLN A 45 -3.849 -25.869 -0.685 1.00 0.00 C ATOM 729 C GLN A 45 -4.869 -26.859 -1.238 1.00 0.00 C ATOM 730 O GLN A 45 -4.975 -27.989 -0.760 1.00 0.00 O ATOM 731 CB GLN A 45 -4.451 -25.134 0.516 1.00 0.00 C ATOM 732 CG GLN A 45 -3.352 -24.352 1.238 1.00 0.00 C ATOM 733 CD GLN A 45 -3.175 -24.886 2.656 1.00 0.00 C ATOM 734 OE1 GLN A 45 -3.992 -24.603 3.532 1.00 0.00 O ATOM 735 NE2 GLN A 45 -2.152 -25.646 2.934 1.00 0.00 N ATOM 0 H GLN A 45 -3.602 -23.932 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.961 -26.417 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.237 -24.456 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.913 -25.847 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.414 -24.437 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.609 -23.293 1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.477 -25.879 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.027 -26.008 3.880 1.00 0.00 H new ATOM 744 N LYS A 46 -5.616 -26.428 -2.249 1.00 0.00 N ATOM 745 CA LYS A 46 -6.626 -27.285 -2.858 1.00 0.00 C ATOM 746 C LYS A 46 -5.972 -28.331 -3.756 1.00 0.00 C ATOM 747 O LYS A 46 -6.250 -29.523 -3.638 1.00 0.00 O ATOM 748 CB LYS A 46 -7.600 -26.439 -3.683 1.00 0.00 C ATOM 749 CG LYS A 46 -8.873 -27.245 -3.953 1.00 0.00 C ATOM 750 CD LYS A 46 -9.345 -26.987 -5.386 1.00 0.00 C ATOM 751 CE LYS A 46 -9.707 -25.509 -5.546 1.00 0.00 C ATOM 752 NZ LYS A 46 -8.723 -24.853 -6.454 1.00 0.00 N ATOM 0 H LYS A 46 -5.542 -25.498 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.170 -27.795 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.844 -25.521 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.136 -26.145 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.681 -28.308 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.652 -26.962 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.561 -27.259 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.210 -27.611 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.714 -25.412 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.706 -25.016 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.167 -24.032 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.898 -24.539 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.416 -25.530 -7.181 1.00 0.00 H new ATOM 766 N ILE A 47 -5.104 -27.874 -4.651 1.00 0.00 N ATOM 767 CA ILE A 47 -4.417 -28.781 -5.565 1.00 0.00 C ATOM 768 C ILE A 47 -3.193 -29.394 -4.892 1.00 0.00 C ATOM 769 O ILE A 47 -2.436 -30.136 -5.516 1.00 0.00 O ATOM 770 CB ILE A 47 -3.986 -28.025 -6.823 1.00 0.00 C ATOM 771 CG1 ILE A 47 -3.781 -29.019 -7.970 1.00 0.00 C ATOM 772 CG2 ILE A 47 -2.674 -27.286 -6.552 1.00 0.00 C ATOM 773 CD1 ILE A 47 -5.070 -29.129 -8.787 1.00 0.00 C ATOM 0 H ILE A 47 -4.860 -26.890 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.105 -29.581 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.759 -27.306 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.961 -28.690 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.505 -29.996 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.368 -26.748 -7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.817 -26.579 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.901 -28.005 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.924 -29.836 -9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.879 -29.478 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.326 -28.151 -9.195 1.00 0.00 H new ATOM 785 N TRP A 48 -3.003 -29.075 -3.616 1.00 0.00 N ATOM 786 CA TRP A 48 -1.868 -29.601 -2.868 1.00 0.00 C ATOM 787 C TRP A 48 -2.147 -29.558 -1.369 1.00 0.00 C ATOM 788 O TRP A 48 -1.489 -28.833 -0.624 1.00 0.00 O ATOM 789 CB TRP A 48 -0.615 -28.784 -3.180 1.00 0.00 C ATOM 790 CG TRP A 48 0.601 -29.587 -2.844 1.00 0.00 C ATOM 791 CD1 TRP A 48 1.513 -29.260 -1.899 1.00 0.00 C ATOM 792 CD2 TRP A 48 1.052 -30.843 -3.431 1.00 0.00 C ATOM 793 NE1 TRP A 48 2.495 -30.233 -1.870 1.00 0.00 N ATOM 794 CE2 TRP A 48 2.256 -31.230 -2.795 1.00 0.00 C ATOM 795 CE3 TRP A 48 0.540 -31.674 -4.443 1.00 0.00 C ATOM 796 CZ2 TRP A 48 2.926 -32.401 -3.151 1.00 0.00 C ATOM 797 CZ3 TRP A 48 1.212 -32.853 -4.804 1.00 0.00 C ATOM 798 CH2 TRP A 48 2.402 -33.216 -4.159 1.00 0.00 C ATOM 0 H TRP A 48 -3.616 -28.459 -3.082 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.709 -30.637 -3.166 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.601 -28.508 -4.234 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.621 -27.856 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.479 -28.382 -1.270 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.298 -30.216 -1.242 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.377 -31.404 -4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.843 -32.676 -2.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.810 -33.483 -5.583 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.914 -34.124 -4.440 1.00 0.00 H new ATOM 809 N PRO A 49 -3.109 -30.320 -0.923 1.00 0.00 N ATOM 810 CA PRO A 49 -3.491 -30.380 0.517 1.00 0.00 C ATOM 811 C PRO A 49 -2.275 -30.526 1.428 1.00 0.00 C ATOM 812 O PRO A 49 -2.124 -29.707 2.319 1.00 0.00 O ATOM 813 CB PRO A 49 -4.391 -31.612 0.603 1.00 0.00 C ATOM 814 CG PRO A 49 -4.958 -31.788 -0.767 1.00 0.00 C ATOM 815 CD PRO A 49 -3.937 -31.212 -1.749 1.00 0.00 C ATOM 816 OXT PRO A 49 -1.514 -31.457 1.223 1.00 0.00 O ATOM 0 HA PRO A 49 -3.983 -29.466 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.824 -32.491 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.182 -31.470 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.142 -32.842 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.914 -31.273 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.339 -31.998 -2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.425 -30.668 -2.558 1.00 0.00 H new TER 824 PRO A 49